Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20500830 | 0.73 | — | — | |
| SCHEMBL11076303 | 0.71 | — | — | |
| Acetic Acid SCHEMBL12544195 | 0.69 | FFAR3 (0.54) | ALDH1A1TSHRTDP1CA1CA5A | |
| Acetic Acid SCHEMBL12544197 | 0.67 | FFAR3 (0.50) | TSHRCA1CA5ACA5BLMNA | |
| Acetone SCHEMBL8347999 | 0.65 | — | — | |
| Acetone SCHEMBL7686620 | 0.65 | — | — | |
| Acetone SCHEMBL22579069 | 0.65 | LMNA (0.50) | ALDH1A1TSHRTDP1CA1CA5A | |
| Acetone SCHEMBL9008051 | 0.65 | LMNA (0.50) | ALDH1A1TSHRTDP1CA1CA5A | |
| Acetone SCHEMBL28664067 | 0.65 | LMNA (0.50) | ALDH1A1TSHRTDP1CA1CA5A | |
| Acetone SCHEMBL4838152 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106977469-A | A kind of synthetic method of deuterated HMX | 西南科技大学 | 2017-07-25 | — | — | CN | disclosed |